CID 43142321

2-[2-(4h-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]acetic acid

Structural Information

Molecular Formula
C7H6N4O2S
SMILES
C1=C(N=C(S1)C2=NC=NN2)CC(=O)O
InChI
InChI=1S/C7H6N4O2S/c12-5(13)1-4-2-14-7(10-4)6-8-3-9-11-6/h2-3H,1H2,(H,12,13)(H,8,9,11)
InChIKey
SANYHWBNPSXCQX-UHFFFAOYSA-N
Compound name
2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.02115 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02843 141.0
[M+Na]+ 233.01037 152.3
[M-H]- 209.01387 141.9
[M+NH4]+ 228.05497 157.4
[M+K]+ 248.98431 148.8
[M+H-H2O]+ 193.01841 133.8
[M+HCOO]- 255.01935 157.4
[M+CH3COO]- 269.03500 153.6
[M+Na-2H]- 230.99582 142.0
[M]+ 210.02060 143.5
[M]- 210.02170 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.